SCHEMBL4286969

SCHEMBL4286969

COc1cc(OC)c2c(=O)c(OC)c(-c3ccc(O)c(OC)c3)oc2c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.87
ABCB1 P08183 4/20 0.80
ABCC1 P33527 3/20 0.80
KDM4E B2RXH2 2/20 0.80
CYP3A4 P08684 2/20 0.80
MEN1 O00255 1/20 0.80
ALDH1A1 P00352 1/20 0.80
MAPK1 P28482 1/20 0.80
KMT2A Q03164 1/20 0.80
TDP1 Q9NUW8 1/20 0.80
ADORA3 P0DMS8 4/20 0.76
SLC22A2 O15244 1/20 0.76
SLC22A1 O15245 1/20 0.76
PLG P00747 1/20 0.71
NOX4 Q9NPH5 1/20 0.71
LMNA P02545 1/20 0.67
TP53 P04637 1/20 0.67
MAPT P10636 1/20 0.67
CASP1 P29466 1/20 0.67
CASP7 P55210 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15635393 0.93 PLG (0.82) ABCG2ABCB1ABCC1KDM4ECYP3A4
Pachypodol SCHEMBL29929114 0.93 ABCG2 (1.00) ABCG2ABCB1ABCC1KDM4ECYP3A4
Pachypodol SCHEMBL39280 0.93 ABCG2 (1.00) ABCG2ABCB1ABCC1KDM4ECYP3A4
SCHEMBL17620251 0.89 ABCG2 (0.77) ABCG2ABCB1ABCC1KDM4ECYP3A4
Pentamethylquercetin SCHEMBL30168918 0.89 ABCG2 (1.00) ABCG2ABCB1ABCC1KDM4ECYP3A4
Pentamethylquercetin SCHEMBL29725289 0.89 ABCG2 (1.00) ABCG2ABCB1ABCC1KDM4ECYP3A4
Pentamethylquercetin SCHEMBL2286327 0.89 ABCG2 (1.00) ABCG2ABCB1ABCC1KDM4ECYP3A4
Pentamethylquercetin SCHEMBL30168919 0.89 ABCG2 (1.00) ABCG2ABCB1ABCC1KDM4ECYP3A4
SCHEMBL15635199 0.88 ADORA3 (0.83) ABCG2ABCB1ABCC1KDM4ECYP3A4
SCHEMBL31259494 0.86 ADORA3 (0.83) ABCG2ABCB1ABCC1KDM4ECYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12514278-B2 Tobacco-derived composition R.J. REYNOLDS TOBACCO COMPANY (US) 2026-01-06 US claimed
US-20220346435-A1 TOBACCO-DERIVED COMPOSITION REYNOLDS TOBACCO CO R (US) 2022-11-03 US claimed
CN-110432537-B Tobacco-derived O-methylated flavonoid compositions R.J.雷诺兹烟草公司 2022-08-19 CN claimed
US-11412775-B2 Tobacco-derived composition R.J. REYNOLDS TOBACCO COMPANY (US) 2022-08-16 US claimed
EP-2906055-B1 METHOD OF EXTRACTING TOBACCO-DERIVED O-METHYLATED FLAVONOID AND USE THEREOF REYNOLDS TOBACCO CO R (US) 2020-12-16 EP claimed
CN-110432537-A The flavonoid composition of the methylation of O- derived from tobacco REYNOLDS TOBACCO CO R 2019-11-12 CN claimed
EP-2906055-A1 TOBACCO-DERIVED O-METHYLATED FLAVONOID COMPOSITION R. J. Reynolds Tobacco Company (US) 2015-08-19 EP claimed
CN-104780791-A Tobacco-derived O-methylated flavonoid compositions REYNOLDS TOBACCO CO R 2015-07-15 CN claimed
US-20140096780-A1 TOBACCO-DERIVED COMPOSITION R.J. REYNOLDS TOBACCO COMPANY (US) 2014-04-10 US claimed
US-6872771-B1 Tire with rubber containing flavone THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-03-29 US claimed
US-4352792-A 3-Alkoxyflavone antiviral agents HOFFMANN-LA ROCHE INC. (US) 1982-10-05 US claimed
EP-0019081-A1 Flavone derivatives, their preparation, these novel and known flavones as antiviral agents, and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-11-26 EP claimed
US-12514278-B2 Tobacco-derived composition R.J. REYNOLDS TOBACCO COMPANY (US) 2026-01-06 US disclosed
US-20220346435-A1 TOBACCO-DERIVED COMPOSITION REYNOLDS TOBACCO CO R (US) 2022-11-03 US disclosed
CN-110432537-B Tobacco-derived O-methylated flavonoid compositions R.J.雷诺兹烟草公司 2022-08-19 CN disclosed
US-11412775-B2 Tobacco-derived composition R.J. REYNOLDS TOBACCO COMPANY (US) 2022-08-16 US disclosed
WO-2000019998-A1 COMPOSITIONS AND METHODS OF INHIBITING NEOPLASTIC DISEASES WITH COMPOUNDS RELATED TO LIMOCITRIN AND 5-DESMETHYL SINENSETIN KGK SYNERGIZE (CA) 2000-04-13 WO disclosed
EP-0019081-B1 FLAVONE DERIVATIVES, THEIR PREPARATION, THESE NOVEL AND KNOWN FLAVONES AS ANTIVIRAL AGENTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-10-24 EP disclosed
US-4352792-A 3-Alkoxyflavone antiviral agents HOFFMANN-LA ROCHE INC. (US) 1982-10-05 US disclosed
EP-0019081-A1 Flavone derivatives, their preparation, these novel and known flavones as antiviral agents, and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-11-26 EP disclosed